beta-Methyl-3-(1-methylethyl)benzeneethanol
TL;DR: beta-Methyl-3-(1-methylethyl)benzeneethanol (CAS 54518-11-5) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-propan-2-ylphenyl)propan-1-ol
Also Known As: 1-(4-propan-2-ylphenyl)propan-1-ol, 2-[3-(propan-2-yl)phenyl]propan-1-ol, 2-(3-Isopropylphenyl)-1-propanol, 2-(3-isopropylphenyl)propan-1-ol, 2-(3-Isopropylphenyl)-1-propanol #
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 54518-11-5 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)C(C)CO |
| InChIKey | FNDLKNHPVKYEIG-UHFFFAOYSA-N |
Product Overview
beta-Methyl-3-(1-methylethyl)benzeneethanol (CAS 54518-11-5), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-(3-propan-2-ylphenyl)propan-1-ol.
Chemical Property Profile of beta-Methyl-3-(1-methylethyl)benzeneethanol
Property Insights of beta-Methyl-3-(1-methylethyl)benzeneethanol
The XLogP value of 3.0 indicates that beta-Methyl-3-(1-methylethyl)benzeneethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, beta-Methyl-3-(1-methylethyl)benzeneethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methyl-3-(1-methylethyl)benzeneethanol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Methyl-3-(1-methylethyl)benzeneethanol?
The CAS number of beta-Methyl-3-(1-methylethyl)benzeneethanol is 54518-11-5.
What is the molecular formula of beta-Methyl-3-(1-methylethyl)benzeneethanol?
The molecular formula of beta-Methyl-3-(1-methylethyl)benzeneethanol is C12H18O.
What is the molecular weight of beta-Methyl-3-(1-methylethyl)benzeneethanol?
The molecular weight of beta-Methyl-3-(1-methylethyl)benzeneethanol is 178.14 g/mol.
Where can I buy beta-Methyl-3-(1-methylethyl)benzeneethanol?
You can request a quote for beta-Methyl-3-(1-methylethyl)benzeneethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methyl-3-(1-methylethyl)benzeneethanol?
Yes, KEHONG BIO provides custom synthesis services for beta-Methyl-3-(1-methylethyl)benzeneethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.